SCHEMBL12596124

SCHEMBL12596124

CC(CO)c1ccnc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 11/20 0.41
ATR Q13535 1/20 0.41
CCR2 P41597 2/20 0.41
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
NR3C2 P08235 1/20 0.39
IGF1R P08069 1/20 0.39
MAPK1 P28482 1/20 0.39
PTGER1 P34995 1/20 0.39
CYP17A1 P05093 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12541193 1.00 AAK1 (0.41) AAK1ATRCCR2GSK3BDYRK1A
SCHEMBL12695294 0.90 RAB9A (0.42) AAK1ATRCCR2GSK3BDYRK1A
SCHEMBL15070169 0.87 ATR (0.44) AAK1ATRGSK3BDYRK1AIGF1R
SCHEMBL28741827 0.85 ATR (0.43) AAK1ATRGSK3BDYRK1AIGF1R
SCHEMBL27962539 0.85 ATR (0.43) AAK1ATRGSK3BDYRK1AIGF1R
SCHEMBL22945805 0.85 ATR (0.43) AAK1ATRGSK3BDYRK1AIGF1R
SCHEMBL29626780 0.85 ATR (0.43) AAK1ATRGSK3BDYRK1AIGF1R
SCHEMBL29867884 0.84 AAK1 (0.39) AAK1ATRCCR2NR3C2PTGER1
SCHEMBL27955914 0.84 ATR (0.42) AAK1ATRGSK3BDYRK1AIGF1R
SCHEMBL2808080 0.84 ATR (0.44) AAK1ATRCCR2GSK3BDYRK1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180000830-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P-59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LIMITED (GB) 2018-01-04 US disclosed
EP-2370428-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2016-08-10 EP disclosed
US-20160045512-A1 Inhibitors of Hemopoietic Cell Kinase (P59-HCK) and Their Use in the Treatment of Influenza Infection RESPIVERT LIMITED (GB) 2016-02-18 US disclosed
US-20160045512-A1 Inhibitors of Hemopoietic Cell Kinase (P59-HCK) and Their Use in the Treatment of Influenza Infection RESPIVERT LIMITED (GB) 2016-02-18 US disclosed
US-8299073-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2012-10-30 US disclosed
US-20120244120-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LTD. (GB) 2012-09-27 US disclosed
US-20110294812-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2011-12-01 US disclosed
US-20110294812-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2011-12-01 US disclosed
WO-2011070368-A1 ANTIVIRAL USE OF UREA COMPOUNDS RESPIVERT LIMITED (GB) 2011-06-16 WO disclosed
WO-2011070369-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LIMITED (GB) 2011-06-16 WO disclosed
WO-2010067131-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2010-06-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180000830-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P-59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION HCK, CDK9, PHKG1 AAK1 94/4885ATR 3008/4885CCR2 709/4885
US-20120244120-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION HCK, CDK9, TTK AAK1 102/4885ATR 2545/4885CCR2 694/4885
US-20110294812-A1 P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 AAK1 322/4885ATR 1346/4885CCR2 482/4885
US-20160045512-A1 Inhibitors of Hemopoietic Cell Kinase (P59-HCK) and Their Use in the Treatment of Influenza Infection HCK, CDK9, TTK AAK1 102/4885ATR 2545/4885CCR2 694/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.